5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one

C15H11F5N2O4 — CID 22262334

IUPAC5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cc(OC(F)(F)C(F)F)no2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C15H11F5N2O4/c16-8-3-1-7(2-4-8)12-10(21-14(23)24-12)5-9-6-11(22-26-9)25-15(19,20)13(17)18/h1-4,6,10,12-13H,5H2,(H,21,23)
InChIKeyTZCWNGDOVPRVKQ-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.44
Rot. Bonds6

About 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one

5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22262334) has the molecular formula C15H11F5N2O4 and a molecular weight of 378.25 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID22262334
Molecular FormulaC15H11F5N2O4
Molecular Weight378.25 g/mol
Exact Mass378.06
IUPAC Name5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cc(OC(F)(F)C(F)F)no2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C15H11F5N2O4/c16-8-3-1-7(2-4-8)12-10(21-14(23)24-12)5-9-6-11(22-26-9)25-15(19,20)13(17)18/h1-4,6,10,12-13H,5H2,(H,21,23)
InChIKeyTZCWNGDOVPRVKQ-UHFFFAOYSA-N
XLogP3.44
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one (CID 22262334) is 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2cc(OC(F)(F)C(F)F)no2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is TZCWNGDOVPRVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5N2O4/c16-8-3-1-7(2-4-8)12-10(21-14(23)24-12)5-9-6-11(22-26-9)25-15(19,20)13(17)18/h1-4,6,10,12-13H,5H2,(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 378.25 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[3-(1,1,2,2-tetrafluoroethoxy)-1,2-oxazol-5-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22262334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).